(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide

C23H23N3O4S — CID 155558561

IUPAC(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c24-31(28,29)21-13-11-19(12-14-21)16-25-23(27)22(15-18-7-3-1-4-8-18)26-30-17-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27)(H2,24,28,29)/b26-22+
InChIKeyMAVLDIQSLOCFSN-XTCLZLMSSA-N
MW437.52 g/mol
LogP2.77
Rot. Bonds9

About (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide

(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 155558561) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID155558561
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c24-31(28,29)21-13-11-19(12-14-21)16-25-23(27)22(15-18-7-3-1-4-8-18)26-30-17-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27)(H2,24,28,29)/b26-22+
InChIKeyMAVLDIQSLOCFSN-XTCLZLMSSA-N
XLogP2.77
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 155558561) is (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is MAVLDIQSLOCFSN-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H23N3O4S/c24-31(28,29)21-13-11-19(12-14-21)16-25-23(27)22(15-18-7-3-1-4-8-18)26-30-17-20-9-5-2-6-10-20/h1-14H,15-17H2,(H,25,27)(H2,24,28,29)/b26-22+.
What are the key properties of (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
(2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 437.52 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-phenyl-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 155558561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).